[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea

C9H17N3O4S — CID 112736699

IUPAC[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea
SMILESCSCCC(NC(N)=O)C(=O)N1CC(O)CO1
InChIInChI=1S/C9H17N3O4S/c1-17-3-2-7(11-9(10)15)8(14)12-4-6(13)5-16-12/h6-7,13H,2-5H2,1H3,(H3,10,11,15)
InChIKeyTUNZRHUTVSVKPL-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.09
Rot. Bonds5

About [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea

[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea (PubChem CID 112736699) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea
PubChem CID112736699
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea
SMILESCSCCC(NC(N)=O)C(=O)N1CC(O)CO1
InChIInChI=1S/C9H17N3O4S/c1-17-3-2-7(11-9(10)15)8(14)12-4-6(13)5-16-12/h6-7,13H,2-5H2,1H3,(H3,10,11,15)
InChIKeyTUNZRHUTVSVKPL-UHFFFAOYSA-N
XLogP-1.09
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea with MolForge

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Related Compounds

(2S,4S)-1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713686
(2S,4R)-1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857107
(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)urea
CID 60634739
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 102785841
methyl 4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]morpholine-2-carboxylate
CID 78926794
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 112627501
2-[4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperazin-1-yl]acetic acid
CID 43521348
[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]urea
CID 9339131
2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid
CID 62697660
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
[4-methylsulfanyl-1-oxo-1-(3-oxo-1,4-diazepan-1-yl)butan-2-yl]urea
CID 62897597
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea?
The IUPAC name of [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea (CID 112736699) is [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea is CSCCC(NC(N)=O)C(=O)N1CC(O)CO1.
What is the InChIKey of [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea?
The InChIKey is TUNZRHUTVSVKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-17-3-2-7(11-9(10)15)8(14)12-4-6(13)5-16-12/h6-7,13H,2-5H2,1H3,(H3,10,11,15).
What are the key properties of [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea?
[1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea has a molecular weight of 263.32 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxy-1,2-oxazolidin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 112736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).